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2-[[3-(trifluoromethyloxy)phenyl]amino]-3,7-dihydropurin-6-one

2-[[3-(trifluoromethyloxy)phenyl]amino]-3,7-dihydropurin-6-one

Systemtic Name:2-[[3-(trifluoromethyloxy)phenyl]amino]-3,7-dihydropurin-6-one
Openeye Name:2-[3-(trifluoromethoxy)anilino]-3,7-dihydropurin-6-one
CAS Name:2-[3-(trifluoromethoxy)anilino]-3,7-dihydropurin-6-one
IUPAC Name:2-[3-(trifluoromethoxy)anilino]-3,7-dihydropurin-6-one
Traditional Name:2-[3-(trifluoromethoxy)anilino]-3,7-dihydropurin-6-one
Formula: C12H8F3N5O2
MolecularWeight: 311.21943
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(F)(F)F)NC2=NC(=O)C3=C(N2)N=CN3


Isomeric SMILES

C1=CC(=CC(=C1)OC(F)(F)F)NC2=NC(=O)C3=C(N2)N=CN3


InChI

InChI=1S/C12H8F3N5O2/c13-12(14,15)22-7-3-1-2-6(4-7)18-11-19-9-8(10(21)20-11)16-5-17-9/h1-5H,(H3,16,17,18,19,20,21)


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